methyl 4-[[1-(4-oxidanylcyclohexyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate

Systemtic Name: methyl 4-[[1-(4-oxidanylcyclohexyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]butanoate Openeye Name: methyl 4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]sulfanylbutanoate CAS Name: 4-[[1-(4-hydroxycyclohexyl)-5-tetrazolyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-(4-hydroxycyclohexyl)tetrazol-5-yl]thio]butyric acid methyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=NN=NN1C2CCC(CC2)O

Isomeric SMILES

COC(=O)CCCSC1=NN=NN1C2CCC(CC2)O

InChI

InChI=1S/C12H20N4O3S/c1-19-11(18)3-2-8-20-12-13-14-15-16(12)9-4-6-10(17)7-5-9/h9-10,17H,2-8H2,1H3